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ENAMINE-ZINC03351747

 MMsINC code: MMs01390071
Type: Neutral
Formula: C20H23F3N2O
SMILES:   FC(F)(F)c1cc(N2CCN(CC2)Cc2cc(C)c(cc2O)C)ccc1
InChI:   InChI=1/C20H23F3N2O/c1-14-10-16(19(26)11-15(14)2)13-24-6-8-25(9-7-24)18-5-3-4-17(12-18)20(21,22)23/h3-5,10-12,26H,6-9,13H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=158.867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.411 g/mol  logS: -4.76936  SlogP: 4.92794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0900607  Sterimol/B1: 2.56201  Sterimol/B2: 3.20167  Sterimol/B3: 5.2404
  Sterimol/B4: 6.81763  Sterimol/L: 16.9001 
 
 Surface and Volume Properties
  Accessible surface: 608.421  Positive charged surface: 355.44  Negative charged surface: 252.981  Volume: 337.25
  Hydrophobic surface: 449.432  Hydrophilic surface: 158.989
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01390072
ENAMINE-ZINC03351747